ethyl 6-bromanyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-bromo-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-bromo-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-bromo-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H24BrN3O3+2 MolecularWeight: 410.30546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC[NH+]3CCOCC3)Br

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC[NH+]3CCOCC3)Br

InChI

InChI=1S/C18H22BrN3O3/c1-2-25-18(23)15-12-21-16-4-3-13(19)11-14(16)17(15)20-5-6-22-7-9-24-10-8-22/h3-4,11-12H,2,5-10H2,1H3,(H,20,21)/p+2